SCHEMBL17848980

SCHEMBL17848980

CC(=O)N(CC(=O)O)C(=O)C(Nc1ccc(C(=O)O)c(C(=O)O)c1)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
MEP1B Q16820 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17849020 0.91 KMT2A (0.38) ALDH1A1NPC1GAA
SCHEMBL17849026 0.82 MAPT (0.36) ALDH1A1MAPTNPC1GAA
SCHEMBL17848983 0.82 MEN1 (0.35) ALDH1A1AKR1C3AKR1C2MAPTNPC1
Methyl Alcohol SCHEMBL17848974 0.81 MEN1 (0.35) ALDH1A1AKR1C3AKR1C2MAPTNPC1
SCHEMBL17848962 0.81 ALDH1A1 (0.41) ALDH1A1MAPTNPC1
SCHEMBL17848988 0.80 KMT2A (0.46) ALDH1A1GAA
SCHEMBL1170580 0.77 CTSL (0.49) ALDH1A1MAPTGAA
SCHEMBL18586090 0.64 ALDH1A1 (0.39) ALDH1A1MAPT
SCHEMBL11313050 0.62 ALDH1A1 (0.48) ALDH1A1
SCHEMBL2500845 0.62 MYC (0.61) ALDH1A1MAPTNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233886-B1 COMPOUNDS IN THE FAMILY OF N-ACYLAMINO-AMIDES, COMPOSITIONS COMPRISING THEM, AND USES OREAL (FR) 2020-02-26 EP disclosed
US-20170360667-A1 NEW COMPOUNDS IN THE FAMILY OF N-ACYLAMINO-AMIDES, COMPOSITIONS COMPRISING THEM, AND USES L'OREAL (FR) 2017-12-21 US disclosed
EP-3233886-A1 COMPOUNDS IN THE FAMILY OF N-ACYLAMINO-AMIDES, COMPOSITIONS COMPRISING THEM, AND USES L'Oréal (FR) 2017-10-25 EP disclosed
WO-2016096804-A1 COMPOUNDS IN THE FAMILY OF N-ACYLAMINO-AMIDES, COMPOSITIONS COMPRISING THEM, AND USES L'OREAL (FR) 2016-06-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170360667-A1 NEW COMPOUNDS IN THE FAMILY OF N-ACYLAMINO-AMIDES, COMPOSITIONS COMPRISING THEM, AND USES H1-0, CRY1, CCNA1 ALDH1A1 736/4885AKR1C3 117/4885AKR1C2 210/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.